3-(2-fluorophenyl)propan-1-ol

C9H11FO — CID 12618517

IUPAC3-(2-fluorophenyl)propan-1-ol
SMILESOCCCc1ccccc1F
InChIInChI=1S/C9H11FO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
InChIKeyIEKKPRUDKBJNQH-UHFFFAOYSA-N
MW154.18 g/mol
LogP1.75
Rot. Bonds3

About 3-(2-fluorophenyl)propan-1-ol

3-(2-fluorophenyl)propan-1-ol (PubChem CID 12618517) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 3-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)propan-1-ol
PubChem CID12618517
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name3-(2-fluorophenyl)propan-1-ol
SMILESOCCCc1ccccc1F
InChIInChI=1S/C9H11FO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2
InChIKeyIEKKPRUDKBJNQH-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(2-fluorophenyl)propan-1-ol (CID 12618517) is 3-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(2-fluorophenyl)propan-1-ol is OCCCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)propan-1-ol?
The InChIKey is IEKKPRUDKBJNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2.
What are the key properties of 3-(2-fluorophenyl)propan-1-ol?
3-(2-fluorophenyl)propan-1-ol has a molecular weight of 154.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 12618517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).